SCHEMBL4890668

SCHEMBL4890668

Nc1cccc2c1Nc1ccccc1S(=O)(=O)N2CCCCCC(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.60
HDAC2 Q92769 14/20 0.60
HDAC8 Q9BY41 12/20 0.60
HDAC6 Q9UBN7 12/20 0.60
HDAC3 O15379 10/20 0.60
HDAC10 Q969S8 10/20 0.60
HDAC4 P56524 9/20 0.60
HDAC7 Q8WUI4 9/20 0.60
HDAC11 Q96DB2 9/20 0.60
HDAC9 Q9UKV0 9/20 0.60
HDAC5 Q9UQL6 9/20 0.60
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4886855 0.86 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4900832 0.80 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4898161 0.78 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4896680 0.76 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4886860 0.76 HDAC2 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4896217 0.76 HDAC2 (0.68) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5852357 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5852664 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5852592 0.75 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4897536 0.74 HDAC2 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863776-A1 N-HYDROXYAMIDES OMEGA-SUBSTITUTED WITH TRICYCLIC GROUPS AS HISTONE DEACETYLASE INHIBITORS, THEIR PREPARATION AND USE IN PHARMACEUTICAL FORMULATIONS Menarini International Operations Luxembourg S.A. (LU) 2007-12-12 EP claimed
WO-2006097449-A1 N-HYDROXYAMIDES OMEGA-SUBSTITUTED WITH TRICYCLIC GROUPS AS HISTONE DEACETYLASE INHIBITORS, THEIR PREPARATION AND USE IN PHARMACEUTICAL FORMULATIONS MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
US-20080275023-A1 N-Hydroxyamides Omege-Substituted with Tricyclic Groups as Histone Deacetylase Inhibitors, Their Preparation and Use in Pharmaceutical Formulations MENARIN INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2008-11-06 US disclosed
EP-1863776-A1 N-HYDROXYAMIDES OMEGA-SUBSTITUTED WITH TRICYCLIC GROUPS AS HISTONE DEACETYLASE INHIBITORS, THEIR PREPARATION AND USE IN PHARMACEUTICAL FORMULATIONS Menarini International Operations Luxembourg S.A. (LU) 2007-12-12 EP disclosed
WO-2006097449-A1 N-HYDROXYAMIDES OMEGA-SUBSTITUTED WITH TRICYCLIC GROUPS AS HISTONE DEACETYLASE INHIBITORS, THEIR PREPARATION AND USE IN PHARMACEUTICAL FORMULATIONS MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275023-A1 N-Hydroxyamides Omege-Substituted with Tricyclic Groups as Histone Deacetylase Inhibitors, Their Preparation and Use in Pharmaceutical Formulations HDAC8, HDAC2, HDAC7 HDAC1 4/4885HDAC2 2/4885HDAC8 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.